SCHEMBL2952066

SCHEMBL2952066

CCCCNc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
HCAR3 P49019 3/20 0.65
POLB P06746 2/20 0.65
PKM P14618 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
KAT2B Q92831 3/20 0.55
TP53 P04637 1/20 0.54
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PRSS1 P07477 3/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 1/20 0.49
CRHBP P24387 1/20 0.49
RAB9A P51151 1/20 0.49
CRHR2 Q13324 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26324521 0.91 HCAR3 (0.63) MAPTHCAR3POLBPKMSMN1; SMN2
SCHEMBL6896294 0.85 PRSS1 (0.53) MAPTHCAR3POLBPKMSMN1; SMN2
SCHEMBL17678256 0.85 SMN1; SMN2 (0.67) MAPTHCAR3POLBPKMSMN1; SMN2
SCHEMBL594213 0.84 HCAR3 (0.61) MAPTHCAR3POLBPKMLMNA
SCHEMBL14294847 0.84 MAPT (0.69) MAPTHCAR3POLBPKMSMN1; SMN2
SCHEMBL9979903 0.83 MAPT (0.54) MAPTHCAR3POLBPKMSMN1; SMN2
SCHEMBL17743314 0.83 PRSS1 (0.56) MAPTHCAR3POLBPKMSMN1; SMN2
SCHEMBL8509227 0.82 HCAR3 (0.69) MAPTHCAR3POLBPKMSMN1; SMN2
SCHEMBL420259 0.82 ALDH1A1 (0.62) MAPTHCAR3POLBPKMSMN1; SMN2
SCHEMBL29670495 0.82 ALDH1A1 (0.62) MAPTHCAR3POLBPKMSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4851/4885HCAR3 3733/4885POLB 1110/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4830/4885HCAR3 3905/4885POLB 859/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4851/4885HCAR3 3733/4885POLB 1110/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MAPT 4806/4885HCAR3 3748/4885POLB 605/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.